6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine

C66H74Cl6F2N16O8 — CID 157183753

IUPAC6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine
SMILESCCN.CCNc1cc(Cl)ncc1C(=O)OCC.CCNc1cc(Cl)ncc1C=O.CCNc1cc(Cl)ncc1CO.CCOC(=O)c1cnc(Cl)cc1Cl.CCn1c(=O)ccc2cnc(Cl)cc21.CCn1c(=O)ccc2cnc(Nc3ccc(F)cn3)cc21.Nc1ccc(F)cn1
InChIInChI=1S/C15H13FN4O.C10H13ClN2O2.C10H9ClN2O.C8H7Cl2NO2.C8H11ClN2O.C8H9ClN2O.C5H5FN2.C2H7N/c1-2-20-12-7-14(17-8-10(12)3-6-15(20)21)19-13-5-4-11(16)9-18-13;1-3-12-8-5-9(11)13-6-7(8)10(14)15-4-2;1-2-13-8-5-9(11)12-6-7(8)3-4-10(13)14;1-2-13-8(12)5-4-11-7(10)3-6(5)9;2*1-2-10-7-3-8(9)11-4-6(7)5-12;6-4-1-2-5(7)8-3-4;1-2-3/h3-9H,2H2,1H3,(H,17,18,19);5-6H,3-4H2,1-2H3,(H,12,13);3-6H,2H2,1H3;3-4H,2H2,1H3;3-4,12H,2,5H2,1H3,(H,10,11);3-5H,2H2,1H3,(H,10,11);1-3H,(H2,7,8);2-3H2,1H3
InChIKeyAOWGWKQFLLUOFL-UHFFFAOYSA-N
MW1470.14 g/mol
LogP14.08
Rot. Bonds16

About 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine

6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine (PubChem CID 157183753) has the molecular formula C66H74Cl6F2N16O8 and a molecular weight of 1470.14 g/mol. Its IUPAC name is 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine
PubChem CID157183753
Molecular FormulaC66H74Cl6F2N16O8
Molecular Weight1470.14 g/mol
Exact Mass1466.40
IUPAC Name6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine
SMILESCCN.CCNc1cc(Cl)ncc1C(=O)OCC.CCNc1cc(Cl)ncc1C=O.CCNc1cc(Cl)ncc1CO.CCOC(=O)c1cnc(Cl)cc1Cl.CCn1c(=O)ccc2cnc(Cl)cc21.CCn1c(=O)ccc2cnc(Nc3ccc(F)cn3)cc21.Nc1ccc(F)cn1
InChIInChI=1S/C15H13FN4O.C10H13ClN2O2.C10H9ClN2O.C8H7Cl2NO2.C8H11ClN2O.C8H9ClN2O.C5H5FN2.C2H7N/c1-2-20-12-7-14(17-8-10(12)3-6-15(20)21)19-13-5-4-11(16)9-18-13;1-3-12-8-5-9(11)13-6-7(8)10(14)15-4-2;1-2-13-8-5-9(11)12-6-7(8)3-4-10(13)14;1-2-13-8(12)5-4-11-7(10)3-6(5)9;2*1-2-10-7-3-8(9)11-4-6(7)5-12;6-4-1-2-5(7)8-3-4;1-2-3/h3-9H,2H2,1H3,(H,17,18,19);5-6H,3-4H2,1-2H3,(H,12,13);3-6H,2H2,1H3;3-4H,2H2,1H3;3-4,12H,2,5H2,1H3,(H,10,11);3-5H,2H2,1H3,(H,10,11);1-3H,(H2,7,8);2-3H2,1H3
InChIKeyAOWGWKQFLLUOFL-UHFFFAOYSA-N
XLogP14.08
TPSA337.18 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms98
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001470.14
LogP ≤ 514.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine?
The IUPAC name of 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine (CID 157183753) is 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine.
What is the SMILES notation for 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine?
The canonical SMILES for 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine is CCN.CCNc1cc(Cl)ncc1C(=O)OCC.CCNc1cc(Cl)ncc1C=O.CCNc1cc(Cl)ncc1CO.CCOC(=O)c1cnc(Cl)cc1Cl.CCn1c(=O)ccc2cnc(Cl)cc21.CCn1c(=O)ccc2cnc(Nc3ccc(F)cn3)cc21.Nc1ccc(F)cn1.
What is the InChIKey of 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine?
The InChIKey is AOWGWKQFLLUOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O.C10H13ClN2O2.C10H9ClN2O.C8H7Cl2NO2.C8H11ClN2O.C8H9ClN2O.C5H5FN2.C2H7N/c1-2-20-12-7-14(17-8-10(12)3-6-15(20)21)19-13-5-4-11(16)9-18-13;1-3-12-8-5-9(11)13-6-7(8)10(14)15-4-2;1-2-13-8-5-9(11)12-6-7(8)3-4-10(13)14;1-2-13-8(12)5-4-11-7(10)3-6(5)9;2*1-2-10-7-3-8(9)11-4-6(7)5-12;6-4-1-2-5(7)8-3-4;1-2-3/h3-9H,2H2,1H3,(H,17,18,19);5-6H,3-4H2,1-2H3,(H,12,13);3-6H,2H2,1H3;3-4H,2H2,1H3;3-4,12H,2,5H2,1H3,(H,10,11);3-5H,2H2,1H3,(H,10,11);1-3H,(H2,7,8);2-3H2,1H3.
What are the key properties of 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine?
6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine has a molecular weight of 1470.14 g/mol, XLogP of 14.08, 16 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine is sourced from PubChem (CID 157183753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).